2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid

C18H18FN5O2 — CID 160848732

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(C[C@@H]2CCCNC2)nc(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C18H18FN5O2/c19-12-3-4-16-21-9-15(24(16)10-12)17-22-13(7-14(23-17)18(25)26)6-11-2-1-5-20-8-11/h3-4,7,9-11,20H,1-2,5-6,8H2,(H,25,26)/t11-/m0/s1
InChIKeyVNBUISKLLUESKK-NSHDSACASA-N
MW355.37 g/mol
LogP2.17
Rot. Bonds4

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid (PubChem CID 160848732) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid
PubChem CID160848732
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(C[C@@H]2CCCNC2)nc(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C18H18FN5O2/c19-12-3-4-16-21-9-15(24(16)10-12)17-22-13(7-14(23-17)18(25)26)6-11-2-1-5-20-8-11/h3-4,7,9-11,20H,1-2,5-6,8H2,(H,25,26)/t11-/m0/s1
InChIKeyVNBUISKLLUESKK-NSHDSACASA-N
XLogP2.17
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid (CID 160848732) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid is O=C(O)c1cc(C[C@@H]2CCCNC2)nc(-c2cnc3ccc(F)cn23)n1.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid?
The InChIKey is VNBUISKLLUESKK-NSHDSACASA-N. The full InChI is InChI=1S/C18H18FN5O2/c19-12-3-4-16-21-9-15(24(16)10-12)17-22-13(7-14(23-17)18(25)26)6-11-2-1-5-20-8-11/h3-4,7,9-11,20H,1-2,5-6,8H2,(H,25,26)/t11-/m0/s1.
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid has a molecular weight of 355.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 160848732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).